LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# 3d Lennard-Jones melt

units		lj
atom_style	atomic
processors      * 1 1

variable	factor index 1.0

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region		box block 0 10 0 10 0 10
create_box	3 box
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
  4 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 4000 atoms
  Time spent = 0.000429153 secs
mass		* 1.0

region		long block 3 6 0 10 0 10
set             region long type 2
  1400 settings made for type

velocity	all create 1.0 87287

pair_style	lj/cut 2.5
pair_coeff	* * 1.0 1.0 2.5
pair_coeff      * 2 1.0 1.0 5.0

neighbor	0.3 bin
neigh_modify	every 2 delay 4 check yes

balance		1.0 shift x 10 1.0 weight neigh 0.8 # out weighted_var.txt
Neighbor list info ...
  update every 2 steps, delay 4 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
WARNING: Balance weight neigh skipped b/c no list found (src/imbalance_neigh.cpp:65)
  rebalancing time: 0.000684023 seconds
  iteration count = 3
  neigh weight factor: 0.8
  initial/final max load/proc = 1200 1000
  initial/final imbalance factor = 1.2 1
  x cuts: 0 0.25 0.5 0.71875 1
  y cuts: 0 1
  z cuts: 0 1

fix		1 all nve

#dump		id all atom 50 dump.melt

#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	2 pad 3

#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	3 pad 3

thermo		50
run		250 post no
Per MPI rank memory allocation (min/avg/max) = 3.426 | 3.802 | 4.188 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            1   -6.9453205            0   -5.4456955   -5.6812358 
      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778 
     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606 
     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
Loop time of 1.44749 on 4 procs for 250 steps with 4000 atoms

balance		1.0 shift x 10 1.0 weight neigh 0.8
  rebalancing time: 0.000543356 seconds
  iteration count = 10
  neigh weight factor: 0.8
  initial/final max load/proc = 220132 125739
  initial/final imbalance factor = 1.75833 1.00436
  x cuts: 0 0.304443 0.450928 0.626678 1
  y cuts: 0 1
  z cuts: 0 1
run             250 post no
Per MPI rank memory allocation (min/avg/max) = 3.814 | 3.999 | 4.192 Mbytes
Step Temp E_pair E_mol TotEng Press 
     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842 
     350   0.55600296   -6.2801497            0   -5.4463538   -2.0394056 
     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594 
     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161 
     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
Loop time of 1.19834 on 4 procs for 250 steps with 4000 atoms

balance		1.0 shift x 10 1.0 weight neigh 0.8
  rebalancing time: 0.000308752 seconds
  iteration count = 10
  neigh weight factor: 0.8
  initial/final max load/proc = 147109 128929
  initial/final imbalance factor = 1.14487 1.00338
  x cuts: 0 0.304873 0.449926 0.59527 1
  y cuts: 0 1
  z cuts: 0 1
run             250 post no
Per MPI rank memory allocation (min/avg/max) = 3.832 | 4.018 | 4.209 Mbytes
Step Temp E_pair E_mol TotEng Press 
     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
     550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834 
     600   0.54275982   -6.2616799            0   -5.4477437   -1.9939993 
     650   0.54526651    -6.265098            0   -5.4474027   -2.0303672 
     700   0.54369381    -6.263201            0   -5.4478642   -1.9921967 
     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
Loop time of 1.23246 on 4 procs for 250 steps with 4000 atoms

balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
  rebalancing time: 0.000306845 seconds
  iteration count = 10
  neigh weight factor: 0.8
  time weight factor: 0.6
  initial/final max load/proc = 114.116 101.665
  initial/final imbalance factor = 1.12567 1.00285
  x cuts: 0 0.30983 0.449501 0.588031 1
  y cuts: 0 1
  z cuts: 0 1
run             250
Per MPI rank memory allocation (min/avg/max) = 3.832 | 4.018 | 4.209 Mbytes
Step Temp E_pair E_mol TotEng Press 
     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
     800   0.55061744   -6.2725556            0   -5.4468359   -2.0100922 
     850   0.55371614   -6.2763992            0   -5.4460326   -2.0065329 
     900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122 
     950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278 
    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466 
Loop time of 1.13265 on 4 procs for 250 steps with 4000 atoms

Performance: 95351.673 tau/day, 220.721 timesteps/s
97.5% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.64092    | 0.67347    | 0.70289    |   3.5 | 59.46
Neigh   | 0.11654    | 0.22172    | 0.35287    |  22.2 | 19.58
Comm    | 0.068215   | 0.22827    | 0.36221    |  28.0 | 20.15
Output  | 0.00016975 | 0.00031555 | 0.00065875 |   0.0 |  0.03
Modify  | 0.00214    | 0.004007   | 0.0062947  |   3.0 |  0.35
Other   |            | 0.004862   |            |       |  0.43

Nlocal:    1000 ave 1651 max 529 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Nghost:    8692.5 ave 9709 max 8037 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Neighs:    150170 ave 154877 max 145634 min
Histogram: 1 0 0 1 0 0 1 0 0 1

Total # of neighbors = 600681
Ave neighs/atom = 150.17
Neighbor list builds = 25
Dangerous builds = 0
balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
  rebalancing time: 0.000319719 seconds
  iteration count = 10
  neigh weight factor: 0.8
  time weight factor: 0.6
  initial/final max load/proc = 102.192 99.2749
  initial/final imbalance factor = 1.03206 1.0026
  x cuts: 0 0.312695 0.449907 0.587625 1
  y cuts: 0 1
  z cuts: 0 1
run             250
Per MPI rank memory allocation (min/avg/max) = 3.832 | 4.019 | 4.209 Mbytes
Step Temp E_pair E_mol TotEng Press 
    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466 
    1050   0.54629742   -6.2657526            0   -5.4465113    -1.945821 
    1100   0.55427881   -6.2781733            0    -5.446963   -2.0021027 
    1150   0.54730654    -6.267257            0   -5.4465025   -1.9420678 
    1200    0.5388281   -6.2547963            0   -5.4467562    -1.890178 
    1250   0.54848768   -6.2694237            0   -5.4468979   -1.9636797 
Loop time of 1.16447 on 4 procs for 250 steps with 4000 atoms

Performance: 92745.661 tau/day, 214.689 timesteps/s
97.2% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.61612    | 0.67903    | 0.73112    |   5.1 | 58.31
Neigh   | 0.11722    | 0.22257    | 0.35236    |  22.3 | 19.11
Comm    | 0.099441   | 0.25198    | 0.42338    |  28.4 | 21.64
Output  | 0.00018501 | 0.0012686  | 0.0040495  |   4.5 |  0.11
Modify  | 0.0020952  | 0.0044899  | 0.0086782  |   4.0 |  0.39
Other   |            | 0.005134   |            |       |  0.44

Nlocal:    1000 ave 1631 max 523 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Nghost:    8693.75 ave 9752 max 8002 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Neighs:    149995 ave 161500 max 141963 min
Histogram: 2 0 0 0 0 0 1 0 0 1

Total # of neighbors = 599979
Ave neighs/atom = 149.995
Neighbor list builds = 25
Dangerous builds = 0

Total wall time: 0:00:06
